1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

C15H22F2N2O2 — CID 110885371

IUPAC1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1ccc(F)c(F)c1)CC(O)CN1CCOCC1
InChIInChI=1S/C15H22F2N2O2/c1-18(9-12-2-3-14(16)15(17)8-12)10-13(20)11-19-4-6-21-7-5-19/h2-3,8,13,20H,4-7,9-11H2,1H3
InChIKeyHWBCSDZTQBVSCT-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.09
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 110885371) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID110885371
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1ccc(F)c(F)c1)CC(O)CN1CCOCC1
InChIInChI=1S/C15H22F2N2O2/c1-18(9-12-2-3-14(16)15(17)8-12)10-13(20)11-19-4-6-21-7-5-19/h2-3,8,13,20H,4-7,9-11H2,1H3
InChIKeyHWBCSDZTQBVSCT-UHFFFAOYSA-N
XLogP1.09
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-difluorophenyl)methyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111105875
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 110898141
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943
3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide
CID 111912448
3-[(3,4-difluorophenyl)methyl-methylamino]-2-methylpropanethioamide
CID 82918323

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 110885371) is 1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is CN(Cc1ccc(F)c(F)c1)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is HWBCSDZTQBVSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-18(9-12-2-3-14(16)15(17)8-12)10-13(20)11-19-4-6-21-7-5-19/h2-3,8,13,20H,4-7,9-11H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 300.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 110885371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).